N-(2-azanylethanoyl)-6-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]hexanamide

Systemtic Name: N-(2-azanylethanoyl)-6-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]hexanamide Openeye Name: N-(2-aminoacetyl)-6-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]piperazin-1-yl]hexanamide CAS Name: N-(2-amino-1-oxoethyl)-6-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-1-piperazinyl]hexanamide IUPAC Name: N-(2-aminoacetyl)-6-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]hexanamide Traditional Name: 6-[4-[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]piperazino]-N-glycyl-hexanamide Formula: C21H30N6O3S MolecularWeight: 446.5663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCC(=O)NC(=O)CN)CC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CN(CCN1CCCCCC(=O)NC(=O)CN)CC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H30N6O3S/c22-14-19(29)24-18(28)8-2-1-5-9-26-10-12-27(13-11-26)15-20(30)25-21-23-16-6-3-4-7-17(16)31-21/h3-4,6-7H,1-2,5,8-15,22H2,(H,23,25,30)(H,24,28,29)